Bispecific Peptide-Drug Conjugate Structure for LAG-3 and PD-L1 Targeting

Aggregating the PDB file for BsPep-IMDQ, a bispecific peptide-drug conjugate designed to target LAG-3 and PD-L1 immune checkpoints and deliver a TLR7/8 agonist. The structure was developed by Yuzhen Qian and published in 2026, demonstrating antitumor efficacy in MC38 and B16 mouse tumor models. The file size is 185.2 KB.

Use Cases

• Analyze the 3D structure of the BsPep-IMDQ conjugate to understand its binding interfaces with LAG-3 and PD-L1.
• Study the MMP-cleavable linker region within the PDB structure for insights into drug release mechanisms in the tumor microenvironment.
• Use the structural data to model interactions with Toll-like receptor 7/8 (TLR7/8) via the imidazoquinoline (IMDQ) agonist component.
• Perform computational docking studies using the PDB file to screen for potential off-target effects or design derivative molecules.

Strengths

• The PDB file provides a precise 3D atomic structure of the novel BsPep-IMDQ conjugate.
• The conjugate's design and antitumor efficacy are validated in two distinct tumor models (MC38 and B16), as described in the source material.
• The dataset is associated with a specific, recent publication date (2026-03-20).

Limitations

• The dataset is a single, small PDB file (185.2 KB), offering limited scope compared to large-scale screening or omics datasets.
• No accompanying tabular data (e.g., experimental results, binding affinities) is described, limiting quantitative analysis.
• The biological validation is confined to the described mouse models, and human applicability is unknown.

Provenance

Source

figshare, authored by Yuzhen Qian.

Collection Method

Presumably derived from structural biology techniques (e.g., X-ray crystallography, NMR, or computational modeling) as part of the conjugate's development.

Freshness

Last updated 2026-03-20.